3-([2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]SULFANYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE

CAS号
CCD编号
CCD03301639
分子式
C13 H15 N3 O2 S
分子量
277.346

基本信息

产品名称: 3-([2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]SULFANYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
英文同义词: 3-([2-(2,4-DIMETHYLPHENYL)-2-OXOETHYL]SULFANYL)-4-METHYL-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-5-ONE
MDL号: MFCD17021199
氢键受体数量: 5
氢键供体数量: 1
Smile: Cc1ccc(c(c1)C)C(=O)CSc2n[nH]c(=O)n2C
InChi: InChI=1S/C13H15N3O2S/c1-8-4-5-10(9(2)6-8)11(17)7-19-13-15-14-12(18)16(13)3/h4-6H,7H2,1-3H3,(H,14,18)
InChiKey: InChIKey=VCMCZQDTKJAQJR-UHFFFAOYSA-N

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